2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one

C15H14ClN3O — CID 18330010

IUPAC2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCCc1c(C)ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C15H14ClN3O/c1-3-12-9(2)17-8-13-14(12)18-19(15(13)20)11-6-4-10(16)5-7-11/h4-8,18H,3H2,1-2H3
InChIKeyAGKHPMKKNKFDSD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.24
Rot. Bonds2

About 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one

2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 18330010) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID18330010
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCCc1c(C)ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C15H14ClN3O/c1-3-12-9(2)17-8-13-14(12)18-19(15(13)20)11-6-4-10(16)5-7-11/h4-8,18H,3H2,1-2H3
InChIKeyAGKHPMKKNKFDSD-UHFFFAOYSA-N
XLogP3.24
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one (CID 18330010) is 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one is CCc1c(C)ncc2c(=O)n(-c3ccc(Cl)cc3)[nH]c12.
What is the InChIKey of 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is AGKHPMKKNKFDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-3-12-9(2)17-8-13-14(12)18-19(15(13)20)11-6-4-10(16)5-7-11/h4-8,18H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one?
2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 287.75 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 18330010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).